dimethyl disulfide
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IUPAC name :methyldisulfanylmethane
InChI :InChI=1/C2H6S2/c1-3-4-2/h1-2H3
InChIKey :WQOXQRCZOLPYPM-UHFFFAOYAV
SMILES :CSSC
cas number :624-92-0
(EINECS) number :210-871-0
beilstein number :1730824
fema number :3536
coe number :2175
jecfa number :564
fl. number :12.026
molar refractivity :27.30 ± 0.3 cm3
parachor :213.0 ± 4.0 cm3
index of refraction :1.522 ± 0.02
surface tension :32.1 ± 3.0 dyne/cm
density :1.052 ± 0.06 g/cm3
polarizability :10.82 ± 0.5 10-24cm3
XlogP : 1.60
molecular weight : 94.1990400 (IUPAC)
formula :C2 H6 S2
BioActivity Analysis :17389037
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :2930.90.0000
fda reg :172.515
Suppliers :
Frutarom :DIMETHYL DISULPHIDE
≥98.00%, NI, Kosher
Odor:  Alliaceous, Onion
Suggested Uses: Cabbage, Coffee, Garlic, Savoury, Tropical Fruits, Vegetables
Hofmen :Dimethyl disulfide
Jiangyin Healthway :Dimethyl disulfide
Penta :dimethyl disulfide
SAFC Global® :Dimethyl disulfide
≥98%, Kosher
Treatt :Dimethyl disulphide
organoleptics :
odor type :sulfurous
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description:
at 0.10 % in propylene glycol.  		sulfurous vegetable cabbage onion
properties :
appearence :colorless to pale yellow clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.05500 to 1.06500 @ 20.00 °C.
pounds per gallon - calc. : 8.789 to 8.872
refractive index :1.51500 to 1.53500 @ 20.00 °C.
melting point : -85.00 °C. @ 760.00 mm Hg
boiling point : 109.00 to 110.00 °C. @ 760.00 mm Hg
boiling point : 23.00 °C. @ 30.00 mm Hg
vapor pressure :28.70000 mm/Hg @ 25.00 °C.
vapor density :3.2 ( Air = 1 )
flash point : 76.00  °F.  TCC  ( 24.44 °C. )
logP (o/w) : 1.77
safety :
most important hazard(s) :Xn N - Harmful, Dangerous for the environment.
  R 11 - Highly flammable.
R 20/22 - Harmful by inhalation and if swallowed.
R 36 - Irritating to eyes.
R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
S 60 - This material and its container must be disposed of as hazardous waste.
Oral Toxicity(LD50) : 
  Oral-Rat   [sex: M,F]  190.00  mg/kg
(Shapiro et al., 1985)

Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Inhalation-Rat  15850.00  ug/m3/2H
  
Inhalation-Mouse  12300.00  ug/m3/2H
  
 
safety in use :
Category :flavoring agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :6.90 (μg/capita/day)
 
recommendation for dimethyl disulfide fragrance usage levels up to :
 not for fragrance use.
recommendation for dimethyl disulfide flavor usage levels up to :
  1.0000 ppm in the flavor.
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
NIOSH International Chemical Safety Cards :search
NLM Hazardous Substances Data Bank :search
Chemical Carcinogenesis Research Information System :Search
NLM Developmental and Reproductive Toxicity :Search
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 2381
 
WGK Germany :2
 
 
 
 
methyldisulfanylmethane
(EINECS) number :210-871-0
RTECS :624-92-0
chemidplus :000624920
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :624-92-0
dtp/nci :9370
references :
 
methyldisulfanylmethane
fl. number :12.026
jecfa number :564
NIST Chemistry WebBook :3038547714
pubchem :155553
Flavornet :624-92-0
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 dimethyl disulfane
2,3-dithiabutane
 methyl disulfide
(methyl dithio) methane
 methyl dithiomethane
 methyldisulfanylmethane
 methyldithiomethane
soluble in :
 alcohol
 water, 3000 mg/L @ 25C
insoluble in :
 water
potential blenders :    note
 asafetida oilFL/FR
 benzyl mercaptanFL
1,3-butane dithiolFL
 coffee difuranFL
 dimethyl sulfideFL
 ethyl methyl sulfideFL
 mercaptoacetaldehydeFL
 methionyl butyrateFL
 methyl 2-methyl-3-furyl disulfideFL
 methyl 3-(methyl thio) propionateFL/FR
 methyl 4-(methyl thio) butyrateFL
 methyl benzyl disulfideFL
 methyl mercaptanFL
2-(methyl thio) acetaldehydeFL
4-(methyl thio) butanolFL
S-(methyl thio) butyrateFL
2-(methyl thio) methyl-2-butenalFL
4-methyl thiobutyl isothiocyanateFL
5-methyl thiopentyl isothiocyanateFL
bis(2-methyl-3-furyl) disulfideFL
2-methyl-5-methoxythiazoleFL
isopropyl disulfideFL
 propyl mercaptanFL/FR
 pyrazinyl ethane thiolFL
 tetrahydrothiopheneFL
S-tropical 2-thiobutyrateFL
potential uses :
 beef
 cabbage
 coffee
 dairy
 garlic
 malt
 rice
 rum
natural occurrence in :    note
data pageblood orange oil italy @ 0.30% S
 brassica oleracea S
 cabbage  
 coffee  
 filbert  
 fruits  
 garlic S
 hazelnut roasted hazelnut  
 oleracea  
 onion S

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